N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride

C15H28ClN5O3S — CID 119585021

IUPACN-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N(C)C(C)CN)C1.Cl
InChIInChI=1S/C15H27N5O3S.ClH/c1-10(8-16)19(4)15(21)13-6-5-7-20(9-13)24(22,23)14-11(2)17-18-12(14)3;/h10,13H,5-9,16H2,1-4H3,(H,17,18);1H
InChIKeyPEWCBATWKJPFPH-UHFFFAOYSA-N
MW393.94 g/mol
LogP0.65
Rot. Bonds5

About N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119585021) has the molecular formula C15H28ClN5O3S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride
PubChem CID119585021
Molecular FormulaC15H28ClN5O3S
Molecular Weight393.94 g/mol
Exact Mass393.16
IUPAC NameN-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N(C)C(C)CN)C1.Cl
InChIInChI=1S/C15H27N5O3S.ClH/c1-10(8-16)19(4)15(21)13-6-5-7-20(9-13)24(22,23)14-11(2)17-18-12(14)3;/h10,13H,5-9,16H2,1-4H3,(H,17,18);1H
InChIKeyPEWCBATWKJPFPH-UHFFFAOYSA-N
XLogP0.65
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
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[4-(1-aminoethyl)piperidin-1-yl]-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanone;hydrochloride
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N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
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N-[1-(aminomethyl)cyclopentyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
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methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
CID 119998465
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N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 110335758
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
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1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355764

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride (CID 119585021) is N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N(C)C(C)CN)C1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is PEWCBATWKJPFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S.ClH/c1-10(8-16)19(4)15(21)13-6-5-7-20(9-13)24(22,23)14-11(2)17-18-12(14)3;/h10,13H,5-9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119585021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).